Cu₂WS₄ is a copper-tungsten sulfide compound that belongs to the family of transition metal chalcogenides, a class of materials attracting research attention for their electronic and catalytic properties. This is primarily an experimental material in early-stage development rather than an established commercial product. The material's combination of multiple metal centers (copper and tungsten) with sulfur ligands positions it as a candidate for energy storage, catalysis, or photovoltaic applications where tunable electronic structure is advantageous.
Compliance & Regulations
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K)2 entries | 2,250.5 | ksi | DFT | ||
| ↳ | 5,186.5 | ksi | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2300 | - | DFT · OptB88vdW | ||
Shear Modulus(G)2 entries | 1,322.1 | ksi | DFT | ||
| ↳ | 3,296.7 | ksi | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.1745 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 0.9010 | eV | DFT · OptB88vdW | ||
| ↳ | 1.696 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr)2 entries | 7.784 | - | DFT · OptB88vdW | ||
| ↳ | 6.350 | - | DFT · PBE | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 8.515 | - | DFT · OptB88vdW | ||
| ↳ | 7.603 | - | DFT · TBmBJ | ||
Electronic Dielectric Tensor(ε∞) | Matrix (redacted) | - | DFT · PBE | ||
Total Dielectric Tensor(ε) | Matrix (redacted) | - | DFT · PBE | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij)2 entries | 0.3410 | C/m² | DFT · OptB88vdW | ||
| ↳ | 0.01844 range 0.00825–0.02862median of 2 measurements | C/m² | DFT · PBE | ||
Piezoelectric Stress Tensor(eij) | Matrix (redacted) | C/m² | DFT · PBE | ||
Thermoelectric Power Factor(PF)2 entries | 0.00000232 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00195 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | 1,052.2 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 341.7 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 29.26 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.07520 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.5019 | eV/atom | DFT · OptB88vdW |
Reference data from cited sources. Not verified or certified by MatWorld Inc. Verify against the source before use in design. Terms: engineering data